1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine

C10H15FN2O — CID 126981891

IUPAC1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cc(C(N)C(C)C)c(F)cn1
InChIInChI=1S/C10H15FN2O/c1-6(2)10(12)7-4-9(14-3)13-5-8(7)11/h4-6,10H,12H2,1-3H3
InChIKeyFOUQWASREIYIHQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.89
Rot. Bonds3

About 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine

1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine (PubChem CID 126981891) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine
PubChem CID126981891
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cc(C(N)C(C)C)c(F)cn1
InChIInChI=1S/C10H15FN2O/c1-6(2)10(12)7-4-9(14-3)13-5-8(7)11/h4-6,10H,12H2,1-3H3
InChIKeyFOUQWASREIYIHQ-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine (CID 126981891) is 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine is COc1cc(C(N)C(C)C)c(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is FOUQWASREIYIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-6(2)10(12)7-4-9(14-3)13-5-8(7)11/h4-6,10H,12H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine?
1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 198.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 126981891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).